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Influence of A-Site Ag Substitution on Structural and Electrical Properties of Bi1/2Na1/2-xAgxTiO3 (x = 0.0, 0.025, 0.075, and 0.1) Lead-Free Ceramics A-Site银替代对Bi1/2Na1/2-xAgxTiO3(x = 0.0、0.025、0.075和0.1)无铅陶瓷结构和电学特性的影响
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-07-03 DOI: 10.1007/s10948-024-06790-x
Susheel Patel, Pallavi Saxena, A. Mishra

Silver-doped Bi1/2Na1/2-xAgxTiO3 (BNAT) ceramics (x = 0.0, 0.025, 0.075, and 0.1) were synthesized using the solid-state reaction (SSR) technique. The structural analysis was performed using the X-ray diffraction (XRD) technique, which revealed the formation of a polycrystalline sample with R3c symmetry. Pristine Bi0.5Na0.5TiO3 (BNT) ceramics exhibited an average crystallite size of ~25.372 nm. Doping a small amount of Ag+ ions in place of Na+ ions resulted in an improved average crystallite size of ~26.365 nm, as calculated by Debye-Scherrer’s formula. Raman spectra were employed to investigate the vibrational modes of the materials. The FTIR spectra of Ag+-doped BNT ceramics displayed two strong peaks at ~971 and 537 cm−1, attributed to the presence of metal-oxygen bonds. Room temperature dielectric constant (ε′) and dielectric loss (tan δ) analyses were conducted in the frequency range of 20 Hz to 1 MHz. Complex impedance and modulus spectroscopic analyses indicated the presence of grain boundary effects alongside the bulk contribution and also confirmed the presence of non-Debye relaxations in the materials.

利用固态反应(SSR)技术合成了掺银 Bi1/2Na1/2-xAgxTiO3(BNAT)陶瓷(x = 0.0、0.025、0.075 和 0.1)。利用 X 射线衍射(XRD)技术进行了结构分析,结果显示形成了具有 R3c 对称性的多晶样品。原始 Bi0.5Na0.5TiO3 (BNT) 陶瓷的平均结晶尺寸约为 25.372 nm。根据 Debye-Scherrer 公式计算,掺入少量 Ag+ 离子代替 Na+ 离子后,平均结晶尺寸提高到约 26.365 nm。拉曼光谱用于研究材料的振动模式。掺 Ag+ 的 BNT 陶瓷的傅立叶变换红外光谱在 ~971 和 537 cm-1 处显示了两个强峰,这归因于金属氧键的存在。室温介电常数(ε′)和介电损耗(tan δ)分析的频率范围为 20 Hz 至 1 MHz。复阻抗和模量光谱分析表明,除了块体效应外,还存在晶界效应,并证实了材料中存在非德拜弛豫。
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引用次数: 0
Preparation of Dextran- and Carboxymethyl Dextran–Coated Fe3O4 Nanoparticles for Breast Cancer Cell Labeling and Magnetic Hyperthermia 制备右旋糖酐和羧甲基右旋糖酐包覆的 Fe3O4 纳米粒子,用于乳腺癌细胞标记和磁热疗
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-07-01 DOI: 10.1007/s10948-024-06788-5
Yao Ying, Yikai Zhou, Jing Yu, Liang Qiao, Jingwu Zheng, Wangchang Li, Juan Li, Shenglei Che

Breast cancer is one of the deadliest cancers for women, so cell labeling and therapy of breast cancer become imperative. In this work, dextran- and carboxymethyl dextran–coated Fe3O4 nanoparticles (Fe3O4@DEX and Fe3O4@CMD) were well synthesized through the co-precipitation method. The dextran and carboxymethyl dextran coating reduces the average particle size of Fe3O4 nanoparticles from 10.9 to 4.0–5.5 nm, and the coated samples exhibit average hydrodynamic diameters ranging from 31 to 110 nm. The coating promotes the dispersibility of nanoparticles. Saturation magnetization is reduced from 60.3 to 5.6–7.1 emu/g in the coated MNPs due to the large weight ratio of the coating layer and the decrease in particle size. Hemolysis and cytotoxicity assay results indicate the excellent biocompatibility of Fe3O4 nanoparticles. The cellular uptake assay confirms that both dextran- and carboxymethyl dextran–coated Fe3O4 nanoparticles are easily taken in by breast cancer cells. Comprehensively considering dispersion, biocompatibility, and cellular uptake, the Fe3O4@CMD is more suitable for application in the bio-labeling of breast cancer cells. The SAR values of the Fe3O4@DEX and Fe3O4@CMD range from 19.2 to 30.7 W/g. The SAR value is mainly influenced by the hydrodynamic diameter in the coated samples. The Fe3O4@CMD20 shows the maximum SAR value of 30.7 W/g and has potential application in magnetic hyperthermia therapy.

乳腺癌是女性最致命的癌症之一,因此乳腺癌的细胞标记和治疗势在必行。本研究通过共沉淀法合成了右旋糖酐和羧甲基右旋糖酐包覆的 Fe3O4 纳米粒子(Fe3O4@DEX 和 Fe3O4@CMD)。葡聚糖和羧甲基葡聚糖包覆使 Fe3O4 纳米粒子的平均粒径从 10.9 纳米减小到 4.0-5.5 纳米,包覆样品的平均流体力学直径为 31-110 纳米。涂层促进了纳米粒子的分散性。由于涂覆层的重量比大,粒径减小,涂覆 MNPs 的饱和磁化率从 60.3 降至 5.6-7.1 emu/g。溶血和细胞毒性检测结果表明,Fe3O4 纳米粒子具有良好的生物相容性。细胞摄取实验证实,葡聚糖和羧甲基葡聚糖包覆的 Fe3O4 纳米粒子都很容易被乳腺癌细胞摄取。综合考虑分散性、生物相容性和细胞摄取性,Fe3O4@CMD 更适合应用于乳腺癌细胞的生物标记。Fe3O4@DEX 和 Fe3O4@CMD 的 SAR 值介于 19.2 到 30.7 W/g 之间。SAR 值主要受涂层样品的流体力学直径影响。Fe3O4@CMD20 的 SAR 值最大,为 30.7 W/g,有望应用于磁热疗。
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引用次数: 0
Design and Simulation of Conventional Rod Core Fluxgate Magnetometer and Analysis of Performance with Different Core Materials 传统棒芯磁通门磁力计的设计与仿真以及不同棒芯材料的性能分析
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-29 DOI: 10.1007/s10948-024-06785-8
B. Gokul Prakash, B. Gokul Prakash, Pratap Kollu

A comprehensive analysis on conventional rod core fluxgate magnetometer has been done by designing multiple designs with varying number of turns of excitation coil (from hence will be referred to as EXC) and pick-up coil (PC) as well as different core diameter have in Ansys Maxwell and their electromagnetic simulations have been carried out, the results were analysed and are reported in this paper. Also, the current sweep analysis, frequency sweep analysis has been done to study the behaviour of the ferromagnetic core for different magnitudes of excitation current as well as for studying the variation in output induced voltage for different frequencies of the input excitation current. Finally, the electromagnetic simulation of 100 turns rod core design with different ferromagnetic core materials such as iron, ferrite, Metglas 2605 HB1M and Mu-metal has been done to study the sensor performance in terms of sensitivity. The results of all these conducted studies have been included in this paper.

通过在 Ansys Maxwell 中设计具有不同匝数的励磁线圈(以下简称 EXC)和拾取线圈(PC)以及不同磁芯直径的多种设计,对传统棒状磁芯磁通门磁力计进行了全面分析,并进行了电磁仿真,分析结果在本文中进行了报告。此外,本文还进行了电流扫描分析和频率扫描分析,以研究铁磁磁芯在不同励磁电流幅值下的行为,以及在不同频率的输入励磁电流下输出感应电压的变化。最后,对采用不同铁磁磁芯材料(如铁、铁氧体、Metglas 2605 HB1M 和 Mu-metal)设计的 100 匝磁棒磁芯进行了电磁模拟,以研究传感器在灵敏度方面的性能。本文包含了所有这些研究的结果。
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引用次数: 0
Evaluation of Shot Peened SS 347 Tubes Through a Magnetostrictive Sensing (MsS) Device 通过磁致伸缩传感 (MsS) 设备评估经喷丸强化的 SS 347 管材
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-21 DOI: 10.1007/s10948-024-06784-9
Somnath Das, Jacob Debbarma, Avijit Mondal, Premkumar Murugaiyan, Rajat K. Roy, Ashis K. Panda

Impact of shot peening on SS347 tube has been investigated using MagStrics, a magnetostrictive sensing (MsS) device comprising of rapidly quenched ribbon as sensor element. Two tubes of SS347 have been considered in pre- and post-shot peened state. Annealed ribbon as sensor element showed enhanced MsS signal. Using the annealed ribbon as sensor element, the MsS signal amplitude in shot peened tube was found to be distinctly different from un-peened sample. This was associated to magnetic phase evolutions in the pipe internal surface due to shot peening. Such phenomena have been endorsed through SEM–EDX compositional analysis and correlated through simulations using COMSOL Multiphysics.

使用 MagStrics(一种由快速淬火带作为传感元件组成的磁致伸缩传感 (MsS) 装置)研究了喷丸强化对 SS347 管的影响。两根 SS347 管分别处于喷丸前和喷丸后状态。作为传感元件的退火碳带显示出更强的 MsS 信号。使用退火带作为传感器元件,发现喷丸强化管中的 MsS 信号振幅与未强化样品明显不同。这与喷丸强化导致的管材内表面磁相演变有关。这些现象已通过 SEM-EDX 成分分析得到证实,并通过 COMSOL Multiphysics 进行了模拟。
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引用次数: 0
Insight into the Intra and Inter-wire Magnetic Interactions of Co Nanowire Arrays by FORC Diagrams 通过 FORC 图表深入了解 Co 纳米线阵列的线内和线间磁相互作用
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-21 DOI: 10.1007/s10948-024-06736-3
Leila Alicheraghi, Ali Ghasemi, Ebrahim Paimozd, Mohammad Reza Nasr-Esfahani

Understanding and controlling the magnetic behavior of nanowire (NW) arrays is a fundamental step for developing novel future-generation devices. The current research investigated the role of copper pre-plating thickness on the structural and magnetic interactions of cobalt NW arrays. The NWs were grown in the anodic aluminum oxide (AAO) templates with a nanopore diameter of 30 nm by using a pulse electrodeposition (PED). The thickness of Cu pre-plating varied by adjusting the amount of electrodeposition (ED) Coulomb charge to about 0.03–0.7 C. The intensity of the Co-hcp peaks in the X-ray diffraction (XRD) pattern changes with the increase of Cu pre-plating, which can be related to ion mobility and growth kinetics during the ED process. The hysteresis curves indicate that effective magnetic anisotropy fields (({text{H}}_{text{A}}^{text{eff}})) increase from 7200 to 11,000 Oe with increasing Cu thickness. The coercivity of Co nanowire arrays without Cu pre-plating was 1170 Oe and rose to 1870 Oe for optimum Cu thickness with 0.3 C pre-plating. The switching field distribution (SFD) extracted from hysteresis curves agrees well with the squareness ratio. Also, the SFD indicates an exchange coupling between the interfaces of the magnetic phases in the optimum sample. The regions formed in the first-order reversal curve (FORC) diagram showed crystalline features and magnetic phase interactions between the intra and inter-wire. Further, the FORC analysis showed the same crystalline features as those obtained from the XRD structural analysis.

了解和控制纳米线(NW)阵列的磁性行为是开发新一代未来设备的基础步骤。目前的研究调查了预镀铜厚度对钴纳米线阵列的结构和磁性相互作用的作用。利用脉冲电沉积(PED)技术,在纳米孔直径为 30 纳米的阳极氧化铝(AAO)模板中生长出了钴纳米线。X 射线衍射(XRD)图中 Co-hcp 峰的强度随着预镀铜量的增加而变化,这可能与电沉积(ED)过程中的离子迁移率和生长动力学有关。磁滞曲线表明,随着铜厚度的增加,有效磁各向异性场(({text{H}}_{text{A}}^{text{eff}})从 7200 Oe 增加到 11,000 Oe。在没有预镀铜的情况下,钴纳米线阵列的矫顽力为1170 Oe,而在预镀铜0.3 C的最佳铜厚度下,矫顽力上升到1870 Oe。从磁滞曲线中提取的开关场分布(SFD)与平方比非常吻合。此外,SFD 还表明最佳样品中磁性相界面之间存在交换耦合。一阶反向曲线(FORC)图中形成的区域显示了线内和线间的结晶特征和磁相相互作用。此外,FORC 分析表明的结晶特征与 XRD 结构分析得出的结晶特征相同。
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引用次数: 0
Study the Effect of Mn-Substitution on the Structural, Magnetic, and Dielectric Properties of Ba0.75Sr0.25Ti1−xMnxO3 Ceramics 研究掺杂锰对 Ba0.75Sr0.25Ti1-xMnxO3 陶瓷的结构、磁性和介电性质的影响
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-20 DOI: 10.1007/s10948-024-06774-x
Hasan Mahmud, Jamal Uddin Ahamed, Md. Nazrul Islam Khan

Conventional solid-state reaction method has been cautiously employed to prepare the Ba0.75Sr0.25Ti1−xMnxO3 ceramic where Sr was firmly doped at the Ba site and Mn was doped with different densities at the Ti site. Since the performance of materials varies with frequency, electric field, and temperature, we have elucidated the various features of the synthesized samples for the sake of scientific benefit in the fields of microelectronics, telecommunications, and spintronics. Structural and morphological features of the ready samples were examined by X-ray diffraction and scanning electron microscopy (SEM). The crystal's tetragonal behavior was verified by XRD analysis, and with the increment of Mn content, the volume of the unit cell is little changed. It is clear from the SEM images that the grain size of the prepared samples increases with Mn doping. The dielectric properties of Ba0.75Sr0.25Ti1−xMnxO3 were measured by dielectric constant and AC conductivity in a wide range of frequency from 1 kHz to 10 MHz. This result also explores that the dielectric constant rises with the concentration of Mn, most significantly for the 20% Mn substitution with Ti. We also found from the experimental result that the dielectric constant is high in the frequency range of 1–10 kHz. The magnetic permeability of the prepared sample increased with 10% and 20% of Mn replacement. Ferromagnetic features with a weak coercive field and the increased ferromagnetic order with rising Mn concentrations of the prepared samples were confirmed by VSM data analysis. The developed multiferroic materials can be employed in future spintronic devices like spin transistors, sensors, spin diodes, and memory devices.

我们谨慎地采用传统固态反应方法制备了 Ba0.75Sr0.25Ti1-xMnxO3 陶瓷,其中在 Ba 位点上牢固地掺入了 Sr,在 Ti 位点上以不同密度掺入了 Mn。由于材料的性能随频率、电场和温度的变化而变化,我们阐明了合成样品的各种特征,以便在微电子学、电信和自旋电子学领域产生科学效益。我们利用 X 射线衍射和扫描电子显微镜(SEM)研究了制备好的样品的结构和形态特征。X 射线衍射分析验证了晶体的四方特性,而且随着锰含量的增加,单位晶胞的体积变化不大。从扫描电镜图像中可以明显看出,制备的样品晶粒尺寸随着锰的掺入而增大。通过介电常数和交流电导率测量了 Ba0.75Sr0.25Ti1-xMnxO3 在 1 kHz 至 10 MHz 宽频率范围内的介电性能。这一结果还发现,介电常数随 Mn 浓度的增加而上升,其中以 Mn 含量为 20% 的 Ti 替代物的介电常数上升最为明显。我们还从实验结果中发现,介电常数在 1-10 kHz 频率范围内较高。制备的样品的磁导率随着 10%和 20%的锰置换量的增加而增加。VSM 数据分析证实了制备的样品具有弱矫顽力场的铁磁性特征,以及随着锰浓度的增加而增加的铁磁阶数。所开发的多铁氧体材料可用于未来的自旋电子器件,如自旋晶体管、传感器、自旋二极管和存储器件。
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引用次数: 0
Structural and Magnetization Studies of Cu Buffered Fe-Ga Films Grown on Si and Si/SiO2 Substrates 在硅和硅/二氧化硅基底上生长的铜缓冲铁-镓薄膜的结构和磁化研究
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-20 DOI: 10.1007/s10948-024-06771-0
K. Sai Maneesh, Himalay Basumatary, C. Vishnu Mohan Rao, Radhika Chada, M. Manivel Raja

In this paper, we report a systematic study on effect of film thickness and substrate temperature on structural and magnetic behaviour of Fe-Ga films with Cu buffer layer, deposited on Si and Si/SiO2 substrates at room and high substrate temperatures. Grazing incidence X-ray diffraction studies reveal that all the films are crystalline with disordered alpha-Fe phase, which is BCC A2 phase. At 300 °C of substrate temperature, films deposited on Si/SiO2 substrate found to nucleate L12 phase from matrix of A2 phase, which is not seen in Si based films. Irrespective of substrate material, Fe-Ga films found to exist in dual phases at 500 °C substrate temperature. Lattice strains of the films were calculated from X-ray diffraction patterns, using Williamson-Hall method. From X- ray reflectivity analysis of all the films, film density, thickness and roughness of Fe-Ga layer and buffer layer were obtained after fitting the reflectivity data. Presence of an oxide layer is also evident from reflectivity fitting analysis. From magnetization studies it is clear that, all the films exhibited strong in-plane anisotropy. Saturation magnetization of films was found to vary with change in film density and oxide layer thickness of films. Saturation magnetization of films deposited on Si substrates found to decrease with decrease in film density. Coercivity of films found to vary with change in crystallite size, interface roughness and lattice strain of films. Films deposited on Si substrates are sensitive to strain with change in film thickness and films deposited on Si/SiO2 substrates are sensitive to strain with change in deposition temperature. Coercivity in films found to decrease with decrease in film roughness, increase in crystallite size and lowering the tensile lattice strain.

在本文中,我们系统地研究了在室温和高基底温度下,沉积在硅基底和硅/二氧化硅基底上带有铜缓冲层的铁-镓薄膜的薄膜厚度和基底温度对其结构和磁性行为的影响。平射入射 X 射线衍射研究表明,所有薄膜都是晶体,具有无序的α-铁相,即 BCC A2 相。在 300 °C 的基底温度下,发现沉积在硅/二氧化硅基底上的薄膜会从 A2 相的基质中形成 L12 相,这在硅基薄膜中是看不到的。无论基底材料如何,在基底温度为 500 ℃ 时,Fe-Ga 薄膜都存在双相。薄膜的晶格应变是利用威廉森-霍尔法从 X 射线衍射图谱中计算出来的。通过对所有薄膜的 X 射线反射率分析,拟合反射率数据后得出了铁-镓层和缓冲层的薄膜密度、厚度和粗糙度。从反射率拟合分析中还可以明显看出氧化层的存在。磁化研究表明,所有薄膜都表现出很强的面内各向异性。薄膜的饱和磁化率随薄膜密度和氧化层厚度的变化而变化。在硅基底上沉积的薄膜的饱和磁化率随着薄膜密度的降低而降低。发现薄膜的矫顽力随薄膜晶粒大小、界面粗糙度和晶格应变的变化而变化。沉积在硅基底上的薄膜对薄膜厚度变化产生的应变很敏感,而沉积在硅/二氧化硅基底上的薄膜对沉积温度变化产生的应变很敏感。薄膜的矫顽力会随着薄膜粗糙度的减小、晶体尺寸的增大和拉伸晶格应变的降低而降低。
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引用次数: 0
Microstructural, Optical, and Antimicrobial Activity of ZnO-CuO NCP Prepared Using Co-precipitation Technique 利用共沉淀技术制备的 ZnO-CuO NCP 的微观结构、光学特性和抗菌活性
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-18 DOI: 10.1007/s10948-024-06760-3
Wedad A. Alwesabi, Prajakta D. Dange, Anil V. Raut, Gulab M. Puri, Rahul M. Khobragade, Pravina P. Pawar, S. V. N. Pammi, Challa Kiran Kumar, Pratap Kollu

ZnO-CuO nanocomposite particles (NCPs) were synthesized at different molar ratios (4:1, 3:2, and 1:4) through the use of the co-precipitation technique, which produced interesting modifications in the particle’s physical characteristics. XRD showed that average crystallite size (Davg) decreased noticeably from about 22.07 to 15.98 nm as the concentration of CuO increased within the ZnO matrix. This pattern points to a major impact of CuO content on the composite’s structural properties. Fourier-transform infrared spectroscopy (FTIR), two distinct functional groups were identified: v1 and v2, which were detected at approximately 524 cm−1 and 427 cm−1, respectively, and were linked to intrinsic and extrinsic vibrations. These spectral characteristics highlight the complex interaction between ZnO and CuO and offer important insights into the chemical bonding and molecular interactions within the composite system. The ZnO-CuO nanocomposite was subjected to field emission scanning electron microscopy and energy-dispersive X-ray analysis (SEM-EDX) which showed spherical shapes with increments in agglomeration. UV-Vis absorption spectra revealed a blue shift with increasing absorption in the UV region. The energy band gap of ZnO in its pristine state was found to be 3.31 eV, but in the ZnO4-CuO1 composition, it increased to 5.48 eV, suggesting that the addition of CuO caused a significant change in the electronic structure. Significantly, ZnO-CuO NCP antimicrobial evaluation demonstrated exceptional antibacterial efficacy against bacterial strains that were both Gram positive and Gram negative, in addition to fungal pathogens. This strong antimicrobial activity highlights the synthetic nanocomposite’s potential use in fighting a range of microbial infections and highlights their bright future in the environmental and biomedical fields.

通过使用共沉淀技术,以不同的摩尔比(4:1、3:2 和 1:4)合成了氧化锌-氧化铜纳米复合粒子(NCPs),这使粒子的物理特性发生了有趣的变化。XRD 显示,随着氧化锌基体中 CuO 浓度的增加,平均晶粒尺寸(Davg)从约 22.07 纳米明显降低到 15.98 纳米。这种模式表明,氧化铜含量对复合材料的结构特性有重大影响。傅立叶变换红外光谱(FTIR)发现了两个不同的官能团:v1 和 v2,它们分别在约 524 cm-1 和 427 cm-1 处被检测到,并与内在和外在振动相关联。这些光谱特征凸显了氧化锌和氧化铜之间复杂的相互作用,并为深入了解复合体系内的化学键和分子相互作用提供了重要依据。对 ZnO-CuO 纳米复合材料进行了场发射扫描电子显微镜和能量色散 X 射线分析(SEM-EDX),结果显示其形状为球形,且团聚程度不断增加。紫外-可见吸收光谱显示,随着紫外区吸收量的增加,出现了蓝移现象。原始状态下 ZnO 的能带隙为 3.31 eV,但在 ZnO4-CuO1 成分中,能带隙增加到 5.48 eV,这表明 CuO 的加入导致电子结构发生了显著变化。值得注意的是,ZnO-CuO NCP 的抗菌评估表明,它对革兰氏阳性和革兰氏阴性细菌菌株以及真菌病原体都具有卓越的抗菌功效。这种强大的抗菌活性凸显了合成纳米复合材料在抗击一系列微生物感染方面的潜在用途,并彰显了其在环境和生物医学领域的广阔前景。
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引用次数: 0
Synthesis, Characterization, Magnetic, Elastic, and Electronic Properties of La2ZnMnO6 Double Perovskite La2ZnMnO6 双包晶的合成、表征、磁性、弹性和电子特性
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-18 DOI: 10.1007/s10948-024-06776-9
H. Ouachtouk, A. Harbi, S. Azerblou, A. Azouaoui, M. Moutaabbid, El. Tace

The perovskite La2ZnMnO6 was successfully synthesised using the conventional solid-state reaction. X-ray diffraction shows that the perovskite La2ZnMnO6 crystallizes in a monoclinic structure P21/n space group, where Zn and Mn atoms are regularly distributed. The Raman spectrum result reveals three peaks at 696 cm−1, 655 cm−1 and 505 cm−1, corresponding to the Ag stretching mode, Bg anti-stretching, and bending vibrations modes of Ni/Co-O and Mn-O bonds in the structure. The experimental value of the band gap energy was calculated using Tauc’s formula and the result reveals a semiconducting behaviour. We investigated the structural, elastic, magnetic, and electronic properties using the spin-polarized density functional theory. The partial density of state indicates that the material exhibits a antiferromagnetic semiconducting behaviour. The antiferromagnetic ordering is explained by the super-exchange interaction between empty eg orbitals of Mn4+( ({t}_{2 g}^{3})({e}_{g}^{0})). The obtained Neel temperature is TN ∼ 28 K which is comparable with the experiment results. Elastic constants and their derivative parameters show a high mechanical stability of this material with a ductile nature. The investigation of the transport properties encompassed an analysis of the electrical conductivity, the figure of merit, the Seebeck coefficient, and thermal conductivity. The results show that electronic and thermal conductivities increase linearly with temperature. The computed values of the figure of merit are close to unity, suggesting that this material is a promising candidate for thermoelectric application.

利用常规固态反应成功合成了透辉石 La2ZnMnO6。X 射线衍射显示,包晶体 La2ZnMnO6 结晶为 P21/n 空间群单斜结构,其中 Zn 和 Mn 原子呈规则分布。拉曼光谱结果显示,在 696 cm-1、655 cm-1 和 505 cm-1 处有三个峰,分别对应于结构中的 Ag 拉伸模式、Bg 反拉伸模式以及 Ni/Co-O 和 Mn-O 键的弯曲振动模式。利用陶氏公式计算了带隙能的实验值,结果显示该化合物具有半导体特性。我们使用自旋极化密度泛函理论研究了结构、弹性、磁性和电子特性。部分状态密度表明,该材料具有反铁磁半导体特性。Mn4+ 的空 eg 轨道(({t}_{2 g}^{3})({e}_{g}^{0}))之间的超交换相互作用解释了反铁磁有序性。得到的尼尔温度为 TN ∼ 28 K,与实验结果相当。弹性常数及其导数参数表明这种材料具有很高的机械稳定性和延展性。对传输特性的研究包括对电导率、优点系数、塞贝克系数和热导率的分析。结果表明,电导率和热导率随温度呈线性增长。优点系数的计算值接近于一,这表明这种材料是热电应用的理想候选材料。
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引用次数: 0
Physical Nature of the Pseudogap Phase and Anomalous Transfer of Spectral Weight in Underdoped Cuprates 掺杂不足的铜氧化物中伪隙相的物理本质和光谱权重的反常转移
IF 1.8 4区 物理与天体物理 Q3 PHYSICS, APPLIED Pub Date : 2024-06-17 DOI: 10.1007/s10948-024-06782-x
Kirill Mitsen, Olga Ivanenko

It is shown that many anomalies observed in underdoped cuprates, including anomalous spectral weight transfer and a large pseudogap, appear to have a common nature due to both the cluster structure of the underdoped phase and the specific mechanism of superconducting pairing. The combined action of these factors leads to the fact that at a temperature T lying in a certain temperature range Tc < T < T*, the crystal contains small isolated clusters that can exist both in superconducting and normal states, randomly switching between them. In this case, below Tc with a very high probability, the cluster is in a superconducting state, and above T*, it is in a normal state, and the interval Tc < T < T* is the region of existence of the so-called pseudogap phase. The temperatures Tc and T* for YBa2Cu3O6+δ were calculated depending on the doping level δ. The calculation results are in good agreement with the experiment without the use of fitting parameters. At a given T in the same temperature range, the time sequence of randomly arising superfluid density pulses from each cluster can be represented as a random process. The effective width Δωeff of the spectrum of such a random process will be determined by a correlation time, i.e., the characteristic time between successive on/off superconductivity in two different clusters. This time, according to the estimate, is ~ 10−15 s, which corresponds to Δωeff ~ 1 eV and explains the effect of spectral weight transfer to the high-frequency region. This approach also makes it possible to explain other anomalies observed in the vicinity of Tc: the reversibility of magnetization curves in a certain temperature range below Tc, the anomalous Nernst effect, and anomalous diamagnetism above Tc.

研究表明,在掺杂不足的铜氧化物中观察到的许多反常现象,包括反常的光谱重量转移和较大的伪间隙,似乎具有共同的性质,这是由于掺杂不足相的团簇结构和超导配对的特殊机制造成的。在这些因素的共同作用下,当温度 T 位于一定的温度范围 Tc < T < T* 时,晶体中含有孤立的小晶簇,这些晶簇既可以存在于超导态,也可以存在于正常态,并在两者之间随机切换。在这种情况下,低于 Tc 时,晶体簇极有可能处于超导状态,而高于 T* 时,晶体簇则处于正常状态,区间 Tc < T < T* 就是所谓的伪间隙相的存在区域。计算得出的 YBa2Cu3O6+δ 的温度 Tc 和 T* 取决于掺杂水平 δ。在同一温度范围内的给定 T 下,每个簇随机产生的超流体密度脉冲的时间序列可以表示为一个随机过程。这种随机过程频谱的有效宽度Δωeff将由相关时间决定,即两个不同簇的连续超导开/关之间的特征时间。根据估算,这个时间约为 10-15 秒,相当于 Δωeff ~ 1 eV,这也解释了光谱权重转移到高频区域的影响。这种方法还可以解释在 Tc 附近观察到的其他反常现象:Tc 以下一定温度范围内磁化曲线的可逆性、反常的奈恩斯特效应以及 Tc 以上的反常二磁性。
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Journal of Superconductivity and Novel Magnetism
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